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Molecule
Methylium, Triphenyl-, Tetrafluoroborate(1-) (1:1)
CAS: 341-02-6 · C19H15BF4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 341-02-6
- Molecular Formula
- C19H15BF4
- Molecular Mass
- 330.13 g/mol
Identifiers
CAS Registry Number
341-02-6
SMILES
F[B-](F)(F)F.c1ccc([C+](c2ccccc2)c2ccccc2)cc1
InChI Key
VQXBOEYKSVVPSP-UHFFFAOYSA-N
InChI
InChI=1S/C19H15.BF4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)5/h1-15H;/q+1;-1
Names and Synonyms
- Methylium, Triphenyl-, Tetrafluoroborate(1-) (1:1) Synonym
- Methylium, triphenyl-, tetrafluoroborate(1-) (1:1) Synonym
- Tritylium, tetrafluoroborate(1-) Synonym
- Tritylium tetrafluoroborate Synonym
- Methylium, triphenyl-, tetrafluoroborate(1-) Synonym
- Tritylcarbonium fluoborate Synonym
- Borate(1-), tetrafluoro-, tritylium Synonym
- Borate(1-), tetrafluoro-, triphenylmethylium Synonym
- Triphenylmethyl tetrafluoroborate Synonym
- Trityl tetrafluoroborate Synonym
- Triphenylcarbonium tetrafluoroborate Synonym
- Triphenylmethyl fluoroborate Synonym
- Trityl fluoroborate Synonym
- Triphenylmethylium tetrafluoroborate Synonym
- Triphenylcarbonium tetrafluoroborate(1-) Synonym
- Trityl tetrafluoroborate(1-) Synonym
- NSC 176021 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 330.13 g/mol | CAS Common Chemistry |
| 330.13300000000004 g/mol | RDKit | |
| 330.133 g/mol | RDKit | |
| 332.147 g/mol | chempirical lib | |
| Canonical SMILES | [F-][B+3]([F-])([F-])[F-].C=1C=CC(=CC1)[C+](C=2C=CC=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C19H15.BF4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)5/h1-15H;/q+1;-1 | CAS Common Chemistry |
| InChI Key | InChIKey=VQXBOEYKSVVPSP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 202 °C (decomp) | CAS Common Chemistry |
| Name | Methylium, triphenyl-, tetrafluoroborate(1-) (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 6.005790000000005 | RDKit |
| 6.0058 | RDKit | |
| 5.48 | chempirical lib | |
| Molar Refractivity | 90.06100000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 330.12029376000004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 330.13 g/mol. Edit any field — others recompute live.
